==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-AUG-07 2QY1 . COMPND 2 MOLECULE: PECTATE LYASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR M.L.GARRON,D.SHAYA . 660 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 238 36.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 83 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 8 8 12 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 24 A G 0 0 79 0, 0.0 6,-0.1 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 166.6 0.4 -2.1 -32.2 2 25 A P - 0 0 18 0, 0.0 2,-0.4 0, 0.0 6,-0.4 -0.345 360.0-152.3 -64.5 142.0 -0.3 0.5 -29.5 3 26 A V + 0 0 46 4,-0.1 3,-0.3 192,-0.1 2,-0.3 -0.959 56.9 18.4-115.4 135.6 -1.5 3.9 -30.4 4 27 A G S > S- 0 0 2 -2,-0.4 3,-2.0 301,-0.4 161,-0.2 -0.777 120.2 -16.8 112.8-154.9 -0.8 7.0 -28.3 5 28 A Y T 3 S+ 0 0 11 159,-0.4 160,-0.3 -2,-0.3 -1,-0.2 0.741 134.2 56.8 -63.2 -23.7 1.7 7.7 -25.5 6 29 A G T > S+ 0 0 0 158,-0.3 3,-1.6 -3,-0.3 -1,-0.3 0.300 79.8 136.5 -87.5 8.8 2.3 3.9 -25.1 7 30 A A T < + 0 0 36 -3,-2.0 -4,-0.1 1,-0.2 3,-0.1 -0.251 61.5 31.7 -59.7 141.3 3.2 3.7 -28.8 8 31 A G T 3 S+ 0 0 64 -6,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.344 80.1 140.5 91.0 -6.4 6.3 1.5 -29.6 9 32 A T < + 0 0 4 -3,-1.6 -1,-0.3 1,-0.2 120,-0.1 -0.587 16.9 165.6 -69.3 125.5 5.6 -0.8 -26.6 10 33 A T > - 0 0 84 -2,-0.4 3,-2.3 1,-0.2 -1,-0.2 0.476 18.6-166.7-119.1 -11.6 6.4 -4.4 -27.8 11 34 A G T 3 S- 0 0 3 1,-0.3 64,-0.3 117,-0.2 -1,-0.2 -0.356 74.6 -12.7 56.8-127.4 6.5 -6.2 -24.5 12 35 A G T > S- 0 0 4 27,-0.3 3,-1.5 1,-0.2 -1,-0.3 0.407 92.7-163.1 -83.6 1.0 8.0 -9.7 -25.0 13 36 A G T < - 0 0 36 -3,-2.3 -1,-0.2 1,-0.2 25,-0.1 -0.192 58.9 -14.1 56.9-136.0 7.8 -9.3 -28.8 14 37 A N T 3 S+ 0 0 176 2,-0.1 -1,-0.2 3,-0.0 24,-0.0 0.228 92.7 135.4 -87.2 12.3 8.1 -12.5 -30.9 15 38 A K S < S- 0 0 122 -3,-1.5 24,-0.1 1,-0.1 -3,-0.1 -0.300 70.6 -93.5 -61.3 144.5 9.5 -14.7 -28.1 16 39 A V - 0 0 126 1,-0.1 24,-0.4 23,-0.0 -1,-0.1 -0.469 51.4-111.3 -60.6 120.1 7.9 -18.2 -27.9 17 40 A P - 0 0 67 0, 0.0 2,-0.6 0, 0.0 24,-0.2 -0.238 18.2-136.9 -57.7 139.5 5.1 -17.9 -25.3 18 41 A V E -a 41 0A 62 22,-3.2 24,-2.4 -3,-0.1 2,-0.4 -0.907 22.7-131.8 -95.8 116.2 5.4 -19.6 -21.9 19 42 A N E -a 42 0A 116 -2,-0.6 2,-0.4 22,-0.2 24,-0.2 -0.583 27.2-177.5 -71.4 124.3 2.1 -21.3 -21.1 20 43 A V E -a 43 0A 4 22,-2.7 24,-2.1 -2,-0.4 25,-0.7 -0.980 14.1-177.7-127.3 118.4 1.0 -20.5 -17.6 21 44 A A + 0 0 58 -2,-0.4 2,-0.3 23,-0.2 25,-0.2 0.616 65.5 36.7 -89.3 -14.8 -2.2 -22.1 -16.3 22 45 A T S > S- 0 0 63 23,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.911 80.5-108.0-138.7 161.0 -2.2 -20.4 -12.8 23 46 A F H > S+ 0 0 47 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.900 121.2 47.5 -42.2 -52.0 -1.5 -17.3 -10.8 24 47 A E H > S+ 0 0 123 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.870 108.7 52.4 -68.9 -39.6 1.5 -19.2 -9.2 25 48 A A H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 109.2 51.0 -63.1 -38.8 2.9 -20.4 -12.6 26 49 A M H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.938 112.0 46.2 -63.8 -47.5 2.8 -16.8 -14.0 27 50 A Q H X S+ 0 0 17 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.915 110.5 53.2 -61.5 -45.6 4.7 -15.5 -10.9 28 51 A S H X S+ 0 0 67 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.892 108.9 49.5 -56.4 -42.9 7.3 -18.3 -11.1 29 52 A A H X S+ 0 0 18 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.860 112.9 46.9 -66.9 -37.2 8.0 -17.5 -14.8 30 53 A I H < S+ 0 0 2 -4,-1.9 -2,-0.2 2,-0.2 3,-0.2 0.908 111.7 51.4 -66.5 -43.8 8.4 -13.8 -14.0 31 54 A D H < S+ 0 0 53 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.852 111.6 46.8 -62.0 -37.9 10.7 -14.6 -11.0 32 55 A S H < S+ 0 0 100 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.736 90.6 105.2 -76.4 -25.7 12.9 -16.9 -13.1 33 56 A Y S < S- 0 0 24 -4,-1.1 6,-0.1 -3,-0.2 -3,-0.0 -0.289 75.2-131.0 -62.0 138.0 13.1 -14.3 -15.9 34 57 A S - 0 0 108 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.744 45.2-110.5 -64.2 -26.7 16.4 -12.4 -16.2 35 58 A G S S+ 0 0 11 1,-0.2 37,-3.5 37,-0.1 2,-0.3 0.229 86.3 41.2 115.9 -12.2 14.6 -9.0 -16.4 36 59 A S S S+ 0 0 77 35,-0.2 -2,-0.2 2,-0.1 -1,-0.2 -0.981 77.6 61.6-156.7 163.1 15.2 -8.0 -20.0 37 60 A G S S- 0 0 57 -2,-0.3 36,-0.1 -3,-0.1 37,-0.0 -0.001 106.9 -56.6 106.4 -28.2 15.4 -9.4 -23.6 38 61 A G - 0 0 16 34,-0.5 2,-0.3 -25,-0.1 36,-0.2 0.077 44.9-168.5 125.2 128.0 11.7 -10.5 -23.7 39 62 A L E - b 0 74A 18 34,-2.1 36,-2.9 -4,-0.1 2,-0.5 -0.972 7.0-166.8-140.3 126.2 9.2 -12.8 -22.0 40 63 A V E - b 0 75A 10 -24,-0.4 -22,-3.2 -2,-0.3 2,-0.6 -0.965 5.7-164.2-116.8 122.5 5.8 -13.7 -23.3 41 64 A L E -ab 18 76A 0 34,-3.1 36,-2.7 -2,-0.5 2,-0.8 -0.922 6.6-159.9-110.7 120.2 3.3 -15.3 -21.0 42 65 A N E -ab 19 77A 45 -24,-2.4 -22,-2.7 -2,-0.6 2,-0.6 -0.856 13.6-153.7 -97.5 101.9 0.3 -17.2 -22.4 43 66 A Y E +ab 20 78A 9 34,-2.2 36,-2.9 -2,-0.8 -22,-0.2 -0.691 22.9 168.0 -81.9 119.5 -2.3 -17.3 -19.5 44 67 A T + 0 0 55 -24,-2.1 -23,-0.2 -2,-0.6 -1,-0.1 0.436 30.1 124.2-112.0 -6.1 -4.6 -20.3 -20.0 45 68 A G - 0 0 9 -25,-0.7 38,-2.0 37,-0.1 2,-0.4 -0.259 44.9-156.5 -61.5 144.5 -6.4 -20.5 -16.7 46 69 A K B -j 83 0B 151 36,-0.3 2,-0.2 -25,-0.2 38,-0.2 -0.717 8.4-163.5-126.8 79.2 -10.2 -20.4 -16.7 47 70 A F - 0 0 55 36,-2.3 2,-0.8 -2,-0.4 37,-0.1 -0.450 15.8-136.7 -64.7 128.6 -11.5 -19.2 -13.4 48 71 A D > - 0 0 106 -2,-0.2 3,-1.6 1,-0.2 4,-0.1 -0.807 12.2-164.6 -88.4 109.0 -15.2 -20.0 -12.9 49 72 A F G > S+ 0 0 40 -2,-0.8 3,-1.8 1,-0.3 -1,-0.2 0.706 82.2 75.5 -69.1 -19.9 -16.7 -16.8 -11.4 50 73 A G G 3 S+ 0 0 45 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.657 79.0 74.0 -62.5 -17.8 -19.8 -18.8 -10.4 51 74 A T G < S+ 0 0 75 -3,-1.6 2,-1.0 1,-0.1 -1,-0.3 0.628 78.2 82.7 -71.4 -15.2 -17.7 -20.3 -7.6 52 75 A I < + 0 0 28 -3,-1.8 3,-0.1 1,-0.2 -1,-0.1 -0.805 54.6 170.3 -91.6 98.4 -18.0 -16.9 -5.8 53 76 A K + 0 0 177 -2,-1.0 2,-0.4 1,-0.2 -1,-0.2 0.606 68.4 42.0 -86.8 -14.6 -21.4 -17.3 -4.1 54 77 A D > - 0 0 96 -3,-0.1 3,-1.8 1,-0.1 4,-0.4 -0.933 61.8-161.9-139.1 110.9 -21.1 -14.1 -2.1 55 78 A V G > S+ 0 0 41 -2,-0.4 3,-1.0 1,-0.3 4,-0.3 0.806 94.2 60.9 -56.2 -30.8 -19.6 -10.9 -3.6 56 79 A a G 3 S+ 0 0 26 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.414 86.3 73.3 -84.6 1.8 -19.0 -9.7 -0.0 57 80 A A G < S+ 0 0 34 -3,-1.8 4,-0.5 1,-0.1 3,-0.4 0.717 85.4 70.4 -78.1 -22.6 -16.7 -12.5 0.9 58 81 A Q S X S+ 0 0 9 -3,-1.0 51,-2.1 -4,-0.4 3,-1.5 0.889 87.7 54.9 -70.0 -45.5 -13.9 -11.0 -1.3 59 82 A W T 3 S+ 0 0 7 -4,-0.3 -1,-0.2 1,-0.3 52,-0.2 0.772 104.9 57.3 -62.4 -26.9 -12.9 -7.9 0.7 60 83 A K T 3 S+ 0 0 90 -3,-0.4 340,-0.3 -4,-0.3 -1,-0.3 0.661 96.8 78.4 -75.7 -21.6 -12.2 -10.0 3.8 61 84 A L S < S- 0 0 41 -3,-1.5 48,-0.4 -4,-0.5 2,-0.0 -0.550 91.1 -95.4 -93.6 154.0 -9.7 -12.3 2.0 62 85 A P - 0 0 28 0, 0.0 46,-0.2 0, 0.0 -1,-0.1 -0.360 47.9-100.1 -63.8 148.2 -6.0 -11.6 1.1 63 86 A A - 0 0 38 46,-0.2 2,-0.5 44,-0.1 46,-0.2 -0.299 21.5-145.9 -65.9 149.7 -5.3 -10.2 -2.4 64 87 A K + 0 0 61 44,-0.5 23,-2.6 21,-0.1 2,-0.4 -0.970 34.6 163.7-117.1 109.2 -4.0 -12.5 -5.2 65 88 A T E -k 87 0C 32 -2,-0.5 2,-0.4 21,-0.2 23,-0.2 -0.983 34.5-143.2-140.8 122.6 -1.6 -10.4 -7.2 66 89 A V E -k 88 0C 0 21,-3.0 23,-2.8 -2,-0.4 2,-0.5 -0.683 25.7-149.4 -80.0 134.4 1.0 -11.1 -9.8 67 90 A Q E -k 89 0C 22 -2,-0.4 2,-0.7 21,-0.2 23,-0.2 -0.934 20.6-172.8-114.9 123.5 4.0 -8.8 -9.6 68 91 A I E +k 90 0C 0 21,-3.3 23,-2.6 -2,-0.5 2,-0.5 -0.943 26.2 175.7-103.6 104.5 6.3 -7.6 -12.4 69 92 A K E -k 91 0C 15 -2,-0.7 23,-0.2 322,-0.3 3,-0.1 -0.954 60.1 -18.5-121.8 121.5 9.0 -5.8 -10.4 70 93 A N S S+ 0 0 34 21,-2.2 2,-0.3 -2,-0.5 24,-0.2 0.823 105.0 117.5 55.0 35.9 12.1 -4.2 -11.9 71 94 A K - 0 0 27 20,-0.3 2,-0.2 -3,-0.1 -1,-0.2 -0.979 44.7-162.0-133.9 147.6 11.8 -6.3 -15.0 72 95 A S + 0 0 21 -37,-3.5 -34,-0.5 -2,-0.3 24,-0.2 -0.773 56.3 41.9-128.4 165.4 11.2 -5.2 -18.6 73 96 A D S S+ 0 0 43 22,-2.2 -34,-2.1 23,-0.4 2,-0.4 0.960 74.3 152.7 64.4 56.4 10.1 -6.5 -22.0 74 97 A V E -bc 39 97A 0 22,-1.5 24,-2.9 21,-0.2 2,-0.5 -0.957 32.1-165.2-124.4 133.2 7.2 -8.6 -20.8 75 98 A T E -bc 40 98A 0 -36,-2.9 -34,-3.1 -2,-0.4 2,-0.6 -0.982 1.5-172.1-112.5 122.7 3.9 -9.6 -22.4 76 99 A I E +bc 41 99A 0 22,-3.3 24,-2.9 -2,-0.5 2,-0.5 -0.968 18.8 173.9-106.4 114.0 1.1 -10.9 -20.3 77 100 A K E -bc 42 100A 70 -36,-2.7 -34,-2.2 -2,-0.6 2,-0.3 -0.969 25.8-138.8-129.7 123.4 -1.6 -12.2 -22.7 78 101 A G E -b 43 0A 6 22,-2.6 -34,-0.2 -2,-0.5 247,-0.1 -0.551 23.4-125.7 -73.2 135.3 -4.8 -14.1 -21.8 79 102 A A > - 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